SCHEMBL9505369

SCHEMBL9505369

CCOC(=O)C1=C(CCl)NC(C)=C([N+](=O)[O-])C1c1cccc2nonc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
CACNA1C Q13936 10/20 0.46
CYP1A2 P05177 7/20 0.46
CYP3A4 P08684 7/20 0.46
CYP2C9 P11712 7/20 0.46
CYP2C19 P33261 7/20 0.46
ADORA3 P0DMS8 5/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
CYP2D6 P10635 3/20 0.46
MLNR O43193 1/20 0.46
NR1I2 O75469 1/20 0.46
ABCB11 O95342 1/20 0.46
NR3C1 P04150 1/20 0.46
CYP2C8 P10632 1/20 0.46
ALOX15 P16050 1/20 0.46
TBXA2R P21731 1/20 0.46
CCKBR P32239 1/20 0.46
OPRD1 P41143 1/20 0.46
OPRK1 P41145 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9501356 0.84 NR3C2 (0.54)
SCHEMBL9502937 0.84 CYP2C9 (0.65) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL10933120 0.80 MAPT (0.65) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL7446251 0.80 MAPT (0.75) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL10912838 0.79 CYP2C9 (0.59) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL7433602 0.79 CYP2C9 (0.59) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL29600293 0.79 MAPT (1.00) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL9187081 0.79 MAPT (1.00) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
Darodipine SCHEMBL44696 0.78 CYP2C9 (0.69) MAPTCACNA1CCYP1A2CYP3A4CYP2C9
SCHEMBL7416581 0.76 CACNA1F (0.69) MAPTCACNA1CCYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458823-B1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1993-10-13 EP disclosed
US-5245039-A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA (IT) 1993-09-14 US disclosed
WO-1990009376-A1 A PROCESS FOR PREPARATION OF ENANTIOMERICALLY PURE POLYSUBSTITUTED 1,4-DIHYDROPYRIDINES BOEHRINGER MANNHEIM ITALIA S.P.A. (IT) 1990-08-23 WO disclosed